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REL-(1'R,5'R)-2-(1'-FARNESYL-5'-ACETOXY-2'-OXOCYClOHEX-3'-EN-1'-YL)-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID 8aHKAGCsKOr
InChI InChI=1S/C26H38O5/c1-19(2)9-7-10-20(3)11-8-12-21(4)15-16-26(18-25(29)30-6)17-23(31-22(5)27)13-14-24(26)28/h9,11,13-15,23H,7-8,10,12,16-18H2,1-6H3/b20-11+,21-15+/t23-,26+/m1/s1
InChIKey QGSGXSGJCAHWTQ-OCLGHLIESA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H38O5
Exact Mass 430.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nKaC0UwW6N
Name REL-(1'R,5'R)-2-(1'-FARNESYL-5'-ACETOXY-2'-OXOCYClOHEX-3'-EN-1'-YL)-ACETIC-ACID-METHYLESTER
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O5
InChI InChI=1S/C26H38O5/c1-19(2)9-7-10-20(3)11-8-12-21(4)15-16-26(18-25(29)30-6)17-23(31-22(5)27)13-14-24(26)28/h9,11,13-15,23H,7-8,10,12,16-18H2,1-6H3/b20-11+,21-15+/t23-,26+/m1/s1
InChIKey QGSGXSGJCAHWTQ-OCLGHLIESA-N
Literature Reference Author A.G.FERREIRA,J.B.FERNANDES,P.C.VIEIRA,O.R.GOTTLIEB,H.E.GOTTL IEB
Literature Reference Citation PHYTOCHEM.,40,1723(1995)
Literature Reference DOI 10.1016/0031-9422(95)00368-H
Molecular Weight 430.585 g/mol
Solvent CDCl3
Source File Reference UWLU4540